Chemical Properties of Tetrahydrothiophen-3-one, 2-methyl, PFBO # 1

Tetrahydrothiophen-3-one, 2-methyl, PFBO # 1

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InChI
InChI=1S/C12H10F5NOS/c1-5-7(2-3-20-5)18-19-4-6-8(13)10(15)12(17)11(16)9(6)14/h5H,2-4H2,1H3
InChI Key
UMRDBTHTODYARP-UHFFFAOYSA-N
Formula
C12H10F5NOS
SMILES
CC1SCCC1=NOCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
311.27
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Physical Properties

Property Value Unit Source
Δfgas -1077.83 kJ/mol Joback Calculated Property
Δvap 56.43 kJ/mol Joback Calculated Property
log10WS -5.23 Crippen Calculated Property
logPoct/wat 3.780 Crippen Calculated Property
McVol 182.070 ml/mol McGowan Calculated Property
Pc 1874.03 kPa Joback Calculated Property
Inp 1654.00 NIST
I [2171.00; 2171.00]   Show Hide
I 2171.00 NIST
I 2171.00 NIST
Tboil 686.58 K Joback Calculated Property
Tc 892.24 K Joback Calculated Property

Similar Compounds

Tetrahydrothiophen-3-one, 2-methyl, PFBO # 2. 2-Butanone, 3-methylthio, PFBO # 2. 2-Butanone, 3-methylthio, PFBO # 1. Hexanal, 3-methylthio, PFBO # 1. 2-hydroxy-2-phenylethyl glucosinolate, TMS. Isocallimorphine. Callimorphine. 7-acetyl-9-curassavoylheliotridine. 3'-acetylsupinine. 3'-acetylindicine. RTI 23. Heliotrine (7S). Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-. 2-phenylethylglucosinolate, TMS. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-.

Find more compounds similar to Tetrahydrothiophen-3-one, 2-methyl, PFBO # 1.

Sources

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